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Symmetric pose initialization fails

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Symmetric pose initialization fails
Hi all. I am using PyRosetta for Windows, and after running the following code sample: ... rosetta.init() pose = pose_from_sequence("AAAAAAAAAAAAA", "fa_standard") pose_symm_data = core.conformation.symmetry.SymmData(pose.n_residue(),pose.num_jump()) pose_symm_data.read_symmetry_data_from_file("c2.sym") core.pose.symmetry.make_symmetric_pose(pose, pose_symm_data) it fails with an error: "\core/pose/PDBInfo.hh PDBInfo::natoms( Size const res): res is not in this PDBInfo!" The assert is coming from PDBInfo.hh, line 363: "PyAssert( (res>0) && (res Where as I understand it should say res
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Tue, 2013-11-26 06:42

Looks like you're right. I'll fix it in the developer's version, and it should be fixed for the next PyRosetta release.

Thanks for the bug report!

Tue, 2013-11-26 07:55

Since the windows version of PyRosetta is no longer supported or updated, you will have to download the next weekly release of the Rosetta trunk and compile PyRosetta from that. I'm not sure what compilation tools are available outside of the development version of the rosetta source, or windows-specific tricks to compile, so I am contacting Sergey Lyskov to get his thoughts on the compile. There is still a lot of interest in the windows version, so I'm not sure why it is not supported any longer.


Tue, 2013-11-26 08:47

Compilation process for Windows version is a bit complicated. Basically you need to generate bindings sources on Linux or Mac then transfer results to Windows box and compile it with VisualStudio. This is laborious process so I would advise against trying it on your own.

Tue, 2013-11-26 10:43